SCHEMBL30102016

SCHEMBL30102016

CC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.64
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
CHEK2 O96017 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1372747 1.00 GPR119 (0.64) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL3343638 0.91 GPR119 (0.64) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL5525265 0.90 GPR119 (0.63) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7401143 0.89 GPR119 (0.62) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL31044580 0.88 GPR119 (0.50) GPR119HRH3
SCHEMBL2776401 0.88 GPR119 (0.62) GPR119HRH3
SCHEMBL3346693 0.86 GPR119 (0.62) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL31748202 0.86 GPR119 (0.67) GPR119NPBWR1MCHR1
SCHEMBL13993542 0.86 GPR119 (0.67) GPR119NPBWR1MCHR1
SCHEMBL3180265 0.85 GPR119 (0.66) GPR119NPBWR1MCHR1CHEK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110291085-B Mutant isocitrate dehydrogenase inhibitors, compositions and methods thereof 艾科生物科技有限公司 2023-01-24 CN disclosed